Benzene and substituted derivatives
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3,5-Bis(trifluoromethyl)benzoyl Chloride 98.0+%, TCI America™
CAS: 785-56-8 Molecular Formula: C9H3ClF6O Molecular Weight (g/mol): 276.562 MDL Number: MFCD00000387 InChI Key: WAKMMQSMEDJRRI-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzoyl chloride,3,5-bis-trifluoromethylbenzoyl chloride,3,5-di trifluoromethyl benzoyl chloride,3,5-bis trifluoromethyl benzoylchloride,benzoyl chloride, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl benzoyl chloride,benzoylchloride, 3,5-bis trifluoromethyl,fxffr cvg exfff,3,5-bis trifluoromethyl benzoychloride PubChem CID: 101856 IUPAC Name: 3,5-bis(trifluoromethyl)benzoyl chloride SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl
| PubChem CID | 101856 |
|---|---|
| CAS | 785-56-8 |
| Molecular Weight (g/mol) | 276.562 |
| MDL Number | MFCD00000387 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl |
| Synonym | 3,5-bis trifluoromethyl benzoyl chloride,3,5-bis-trifluoromethylbenzoyl chloride,3,5-di trifluoromethyl benzoyl chloride,3,5-bis trifluoromethyl benzoylchloride,benzoyl chloride, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl benzoyl chloride,benzoylchloride, 3,5-bis trifluoromethyl,fxffr cvg exfff,3,5-bis trifluoromethyl benzoychloride |
| IUPAC Name | 3,5-bis(trifluoromethyl)benzoyl chloride |
| InChI Key | WAKMMQSMEDJRRI-UHFFFAOYSA-N |
| Molecular Formula | C9H3ClF6O |
Bis(4-fluorophenyl) Sulfone 99.0+%, TCI America™
CAS: 383-29-9 Molecular Formula: C12H8F2O2S Molecular Weight (g/mol): 254.25 MDL Number: MFCD00000350 InChI Key: PLVUIVUKKJTSDM-UHFFFAOYSA-N Synonym: 4-fluorophenyl sulfone,bis p-fluorophenyl sulfone,4,4'-sulfonylbis fluorobenzene,bis 4-fluorophenyl sulfone,4,4'-difluorodiphenyl sulfone,4-fluorophenyl sulphone,4-fluorophenylsulfone,benzene, 1,1'-sulfonylbis 4-fluoro,4,4'-difluorodiphenyl sulphone PubChem CID: 67842 IUPAC Name: 1-fluoro-4-(4-fluorobenzenesulfonyl)benzene SMILES: FC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(F)C=C1
| PubChem CID | 67842 |
|---|---|
| CAS | 383-29-9 |
| Molecular Weight (g/mol) | 254.25 |
| MDL Number | MFCD00000350 |
| SMILES | FC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(F)C=C1 |
| Synonym | 4-fluorophenyl sulfone,bis p-fluorophenyl sulfone,4,4'-sulfonylbis fluorobenzene,bis 4-fluorophenyl sulfone,4,4'-difluorodiphenyl sulfone,4-fluorophenyl sulphone,4-fluorophenylsulfone,benzene, 1,1'-sulfonylbis 4-fluoro,4,4'-difluorodiphenyl sulphone |
| IUPAC Name | 1-fluoro-4-(4-fluorobenzenesulfonyl)benzene |
| InChI Key | PLVUIVUKKJTSDM-UHFFFAOYSA-N |
| Molecular Formula | C12H8F2O2S |
5-Bromo-2-nitrobenzotrifluoride 98.0+%, TCI America™
CAS: 344-38-7 Molecular Formula: C7H3BrF3NO2 Molecular Weight (g/mol): 270.005 MDL Number: MFCD00014706 InChI Key: ZHLYHEDQTJZYFI-UHFFFAOYSA-N Synonym: 5-bromo-2-nitrobenzotrifluoride,4-bromo-1-nitro-2-trifluoromethyl benzene,2-nitro-5-bromobenzotrifluoride,5-bromo-2-nitro-a,a,a-trifluorotoluene,5-bromo-a-a,a-trifluoro-2-nitrotoluene,4-bromo-1-nitro-2 trifluoromethyl benzene,4-bromo-1-nitro-2-trifluoromethyl-benzene,benzene, 4-bromo-1-nitro-2-trifluoromethyl,5-bromo-alpha,alpha,alpha-trifluoro-2-nitrotoluene,2-nitro-5-bromotrifluorotoluol PubChem CID: 136171 IUPAC Name: 4-bromo-1-nitro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1Br)C(F)(F)F)[N+](=O)[O-]
| PubChem CID | 136171 |
|---|---|
| CAS | 344-38-7 |
| Molecular Weight (g/mol) | 270.005 |
| MDL Number | MFCD00014706 |
| SMILES | C1=CC(=C(C=C1Br)C(F)(F)F)[N+](=O)[O-] |
| Synonym | 5-bromo-2-nitrobenzotrifluoride,4-bromo-1-nitro-2-trifluoromethyl benzene,2-nitro-5-bromobenzotrifluoride,5-bromo-2-nitro-a,a,a-trifluorotoluene,5-bromo-a-a,a-trifluoro-2-nitrotoluene,4-bromo-1-nitro-2 trifluoromethyl benzene,4-bromo-1-nitro-2-trifluoromethyl-benzene,benzene, 4-bromo-1-nitro-2-trifluoromethyl,5-bromo-alpha,alpha,alpha-trifluoro-2-nitrotoluene,2-nitro-5-bromotrifluorotoluol |
| IUPAC Name | 4-bromo-1-nitro-2-(trifluoromethyl)benzene |
| InChI Key | ZHLYHEDQTJZYFI-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF3NO2 |
N-Benzylethanolamine 95.0+%, TCI America™
CAS: 104-63-2 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00002840 InChI Key: XNIOWJUQPMKCIJ-UHFFFAOYSA-N Synonym: n-benzylethanolamine,2-benzylamino ethanol,benzylaminoethanol,benzylethanolamine,ethanol, 2-phenylmethyl amino,2-benzylamino ethan-1-ol,benzyl ethanolamine,n-benzyle ethanol amine,ethanol, 2-benzylamino,unii-48121ms9jm PubChem CID: 4348 IUPAC Name: 2-(benzylamino)ethan-1-ol SMILES: OCCNCC1=CC=CC=C1
| PubChem CID | 4348 |
|---|---|
| CAS | 104-63-2 |
| Molecular Weight (g/mol) | 151.21 |
| MDL Number | MFCD00002840 |
| SMILES | OCCNCC1=CC=CC=C1 |
| Synonym | n-benzylethanolamine,2-benzylamino ethanol,benzylaminoethanol,benzylethanolamine,ethanol, 2-phenylmethyl amino,2-benzylamino ethan-1-ol,benzyl ethanolamine,n-benzyle ethanol amine,ethanol, 2-benzylamino,unii-48121ms9jm |
| IUPAC Name | 2-(benzylamino)ethan-1-ol |
| InChI Key | XNIOWJUQPMKCIJ-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |
3-Chloro-5-fluorobenzyl Cyanide 98.0+%, TCI America™
CAS: 493038-93-0 Molecular Formula: C8H5ClFN Molecular Weight (g/mol): 169.583 MDL Number: MFCD04038259 InChI Key: GWPLYSLPTCBNDL-UHFFFAOYSA-N Synonym: 3-chloro-5-fluorophenylacetonitrile,2-3-chloro-5-fluorophenyl acetonitrile,3-chloro-5-fluorobenzyl cyanide,3-chloro-5-fluorophenyl acetonitrile,2-3-chloro-5-fluoro-phenyl acetonitrile,pubchem4280,ksc494a3d,3-chloro-5-fluorobenzylcyanide,2-5-chloro-3-fluorophenyl ethanenitrile PubChem CID: 2734836 IUPAC Name: 2-(3-chloro-5-fluorophenyl)acetonitrile SMILES: C1=C(C=C(C=C1F)Cl)CC#N
| PubChem CID | 2734836 |
|---|---|
| CAS | 493038-93-0 |
| Molecular Weight (g/mol) | 169.583 |
| MDL Number | MFCD04038259 |
| SMILES | C1=C(C=C(C=C1F)Cl)CC#N |
| Synonym | 3-chloro-5-fluorophenylacetonitrile,2-3-chloro-5-fluorophenyl acetonitrile,3-chloro-5-fluorobenzyl cyanide,3-chloro-5-fluorophenyl acetonitrile,2-3-chloro-5-fluoro-phenyl acetonitrile,pubchem4280,ksc494a3d,3-chloro-5-fluorobenzylcyanide,2-5-chloro-3-fluorophenyl ethanenitrile |
| IUPAC Name | 2-(3-chloro-5-fluorophenyl)acetonitrile |
| InChI Key | GWPLYSLPTCBNDL-UHFFFAOYSA-N |
| Molecular Formula | C8H5ClFN |
2,3,4,5,6-Pentafluorotoluene 98.0+%, TCI America™
CAS: 771-56-2 Molecular Formula: C7H3F5 Molecular Weight (g/mol): 182.093 MDL Number: MFCD00000298 InChI Key: SXPRVMIZFRCAGC-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorotoluene,pentafluorotoluene,methyl pentafluorobenzene,pentafluoromethylbenzene,benzene, pentafluoromethyl,methylpentafluorobenzene,benzene, 1,2,3,4,5-pentafluoro-6-methyl,toluene, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro-toluene,n-methylpentafluorobenzene PubChem CID: 69869 IUPAC Name: 1,2,3,4,5-pentafluoro-6-methylbenzene SMILES: CC1=C(C(=C(C(=C1F)F)F)F)F
| PubChem CID | 69869 |
|---|---|
| CAS | 771-56-2 |
| Molecular Weight (g/mol) | 182.093 |
| MDL Number | MFCD00000298 |
| SMILES | CC1=C(C(=C(C(=C1F)F)F)F)F |
| Synonym | 2,3,4,5,6-pentafluorotoluene,pentafluorotoluene,methyl pentafluorobenzene,pentafluoromethylbenzene,benzene, pentafluoromethyl,methylpentafluorobenzene,benzene, 1,2,3,4,5-pentafluoro-6-methyl,toluene, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro-toluene,n-methylpentafluorobenzene |
| IUPAC Name | 1,2,3,4,5-pentafluoro-6-methylbenzene |
| InChI Key | SXPRVMIZFRCAGC-UHFFFAOYSA-N |
| Molecular Formula | C7H3F5 |
2-Phenoxypropanol 96.0+%, TCI America™
CAS: 4169-04-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00142958 InChI Key: LOJHHQNEBFCTQK-UHFFFAOYNA-N Synonym: Propylene Glycol 2-Monophenyl Ether PubChem CID: 20129 IUPAC Name: 2-phenoxypropan-1-ol SMILES: CC(CO)OC1=CC=CC=C1
| PubChem CID | 20129 |
|---|---|
| CAS | 4169-04-4 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00142958 |
| SMILES | CC(CO)OC1=CC=CC=C1 |
| Synonym | Propylene Glycol 2-Monophenyl Ether |
| IUPAC Name | 2-phenoxypropan-1-ol |
| InChI Key | LOJHHQNEBFCTQK-UHFFFAOYNA-N |
| Molecular Formula | C9H12O2 |
4-Amino-4'-methyldiphenyl Ether 98.0+%, TCI America™
CAS: 41295-20-9 Molecular Formula: C13H13NO Molecular Weight (g/mol): 199.253 MDL Number: MFCD00059858 InChI Key: VPCGOYHSWIYEMO-UHFFFAOYSA-N Synonym: 4-Aminophenyl p-Tolyl Ether, 4-(p-Tolyloxy)aniline PubChem CID: 94519 IUPAC Name: 4-(4-methylphenoxy)aniline SMILES: CC1=CC=C(C=C1)OC2=CC=C(C=C2)N
| PubChem CID | 94519 |
|---|---|
| CAS | 41295-20-9 |
| Molecular Weight (g/mol) | 199.253 |
| MDL Number | MFCD00059858 |
| SMILES | CC1=CC=C(C=C1)OC2=CC=C(C=C2)N |
| Synonym | 4-Aminophenyl p-Tolyl Ether, 4-(p-Tolyloxy)aniline |
| IUPAC Name | 4-(4-methylphenoxy)aniline |
| InChI Key | VPCGOYHSWIYEMO-UHFFFAOYSA-N |
| Molecular Formula | C13H13NO |
2,3,4-Trifluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 226396-32-3 Molecular Formula: C6H4BF3O2 Molecular Weight (g/mol): 175.901 MDL Number: MFCD01863168 InChI Key: CLGIPVVEERQWSQ-UHFFFAOYSA-N Synonym: 2,3,4-trifluorophenyl boronic acid,2,3,4-trifluorobenzeneboronic acid,2,3,4-trifluorphenylboronic acid,4,5,6-trifluorophenylboronic acid,boronic acid, 2,3,4-trifluorophenyl,pubchem1887,acmc-1ckzl,trifluorophenylboronic acid,ksc201q5d,jalor-chem i01-8460 PubChem CID: 2783280 IUPAC Name: (2,3,4-trifluorophenyl)boronic acid SMILES: B(C1=C(C(=C(C=C1)F)F)F)(O)O
| PubChem CID | 2783280 |
|---|---|
| CAS | 226396-32-3 |
| Molecular Weight (g/mol) | 175.901 |
| MDL Number | MFCD01863168 |
| SMILES | B(C1=C(C(=C(C=C1)F)F)F)(O)O |
| Synonym | 2,3,4-trifluorophenyl boronic acid,2,3,4-trifluorobenzeneboronic acid,2,3,4-trifluorphenylboronic acid,4,5,6-trifluorophenylboronic acid,boronic acid, 2,3,4-trifluorophenyl,pubchem1887,acmc-1ckzl,trifluorophenylboronic acid,ksc201q5d,jalor-chem i01-8460 |
| IUPAC Name | (2,3,4-trifluorophenyl)boronic acid |
| InChI Key | CLGIPVVEERQWSQ-UHFFFAOYSA-N |
| Molecular Formula | C6H4BF3O2 |
4-Chlorobenzylamine 98.0+%, TCI America™
CAS: 104-86-9 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 MDL Number: MFCD00008121 InChI Key: YMVFJGSXZNNUDW-UHFFFAOYSA-N Synonym: 4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218 PubChem CID: 66036 IUPAC Name: (4-chlorophenyl)methanamine SMILES: C1=CC(=CC=C1CN)Cl
| PubChem CID | 66036 |
|---|---|
| CAS | 104-86-9 |
| Molecular Weight (g/mol) | 141.598 |
| MDL Number | MFCD00008121 |
| SMILES | C1=CC(=CC=C1CN)Cl |
| Synonym | 4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218 |
| IUPAC Name | (4-chlorophenyl)methanamine |
| InChI Key | YMVFJGSXZNNUDW-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClN |
Cinnamonitrile 95.0+%, TCI America™
CAS: 1885-38-7 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.162 MDL Number: MFCD00001930 InChI Key: ZWKNLRXFUTWSOY-QPJJXVBHSA-N Synonym: cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile PubChem CID: 1550846 IUPAC Name: (E)-3-phenylprop-2-enenitrile SMILES: C1=CC=C(C=C1)C=CC#N
| PubChem CID | 1550846 |
|---|---|
| CAS | 1885-38-7 |
| Molecular Weight (g/mol) | 129.162 |
| MDL Number | MFCD00001930 |
| SMILES | C1=CC=C(C=C1)C=CC#N |
| Synonym | cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile |
| IUPAC Name | (E)-3-phenylprop-2-enenitrile |
| InChI Key | ZWKNLRXFUTWSOY-QPJJXVBHSA-N |
| Molecular Formula | C9H7N |
N,N'-Dibenzylethylenediamine 98.0+%, TCI America™
CAS: 140-28-3 Molecular Formula: C16H20N2 Molecular Weight (g/mol): 240.35 MDL Number: MFCD00004771 InChI Key: JUHORIMYRDESRB-UHFFFAOYSA-N Synonym: n,n'-dibenzylethylenediamine,benzathine,dbed,benzatin,n1,n2-dibenzylethane-1,2-diamine,1,2-bis benzylamino ethane,1,2-ethanediamine, n,n'-bis phenylmethyl,usaf do-53,unii-c659vz7p7t,ethylenediamine, n,n'-dibenzyl PubChem CID: 8793 ChEBI: CHEBI:51344 IUPAC Name: N,N'-dibenzylethane-1,2-diamine SMILES: C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
| PubChem CID | 8793 |
|---|---|
| CAS | 140-28-3 |
| Molecular Weight (g/mol) | 240.35 |
| ChEBI | CHEBI:51344 |
| MDL Number | MFCD00004771 |
| SMILES | C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2 |
| Synonym | n,n'-dibenzylethylenediamine,benzathine,dbed,benzatin,n1,n2-dibenzylethane-1,2-diamine,1,2-bis benzylamino ethane,1,2-ethanediamine, n,n'-bis phenylmethyl,usaf do-53,unii-c659vz7p7t,ethylenediamine, n,n'-dibenzyl |
| IUPAC Name | N,N'-dibenzylethane-1,2-diamine |
| InChI Key | JUHORIMYRDESRB-UHFFFAOYSA-N |
| Molecular Formula | C16H20N2 |
2-Fluoro-6-(trifluoromethyl)benzonitrile 98.0+%, TCI America™
CAS: 133116-83-3 Molecular Formula: C8H3F4N Molecular Weight (g/mol): 189.113 MDL Number: MFCD00061153 InChI Key: OGQYJDHTHFAPRN-UHFFFAOYSA-N Synonym: 2-fluoro-6-trifluoromethyl benzonitrile,2-cyano-3-fluorobenzotrifluoride,2-fluoro-6-trifluoromethyl-benzonitrile,benzonitrile, 2-fluoro-6-trifluoromethyl,.alpha.,.alpha.,.alpha.,6-tetrafluoro-o-tolunitrile,pubchem4799,acmc-1cgr6,intermediates-zcf02031,ksc495m8r PubChem CID: 145613 IUPAC Name: 2-fluoro-6-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C(=C1)F)C#N)C(F)(F)F
| PubChem CID | 145613 |
|---|---|
| CAS | 133116-83-3 |
| Molecular Weight (g/mol) | 189.113 |
| MDL Number | MFCD00061153 |
| SMILES | C1=CC(=C(C(=C1)F)C#N)C(F)(F)F |
| Synonym | 2-fluoro-6-trifluoromethyl benzonitrile,2-cyano-3-fluorobenzotrifluoride,2-fluoro-6-trifluoromethyl-benzonitrile,benzonitrile, 2-fluoro-6-trifluoromethyl,.alpha.,.alpha.,.alpha.,6-tetrafluoro-o-tolunitrile,pubchem4799,acmc-1cgr6,intermediates-zcf02031,ksc495m8r |
| IUPAC Name | 2-fluoro-6-(trifluoromethyl)benzonitrile |
| InChI Key | OGQYJDHTHFAPRN-UHFFFAOYSA-N |
| Molecular Formula | C8H3F4N |
4-Amino-p-terphenyl 97.0+%, TCI America™
CAS: 7293-45-0 Molecular Formula: C18H15N Molecular Weight (g/mol): 245.325 MDL Number: MFCD00191302 InChI Key: ATGIXVUZFPZOHP-UHFFFAOYSA-N PubChem CID: 350072 IUPAC Name: 4-(4-phenylphenyl)aniline SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N
| PubChem CID | 350072 |
|---|---|
| CAS | 7293-45-0 |
| Molecular Weight (g/mol) | 245.325 |
| MDL Number | MFCD00191302 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N |
| IUPAC Name | 4-(4-phenylphenyl)aniline |
| InChI Key | ATGIXVUZFPZOHP-UHFFFAOYSA-N |
| Molecular Formula | C18H15N |
2-(4-Fluorophenyl)ethyl Bromide 95.0+%, TCI America™
CAS: 332-42-3 Molecular Formula: C8H8BrF Molecular Weight (g/mol): 203.05 MDL Number: MFCD03844794 InChI Key: FLRUNCJXOVYWDH-UHFFFAOYSA-N Synonym: 1-2-bromoethyl-4-fluorobenzene,1-fluoro-4-2-bromoethyl benzene,4-fluorophenethyl bromide,2-4-fluorophenyl ethyl bromide,1-bromo-2-4-fluorophenyl ethane,2-4-fluorophenyl ethylbromide,4-fluorophenylethyl bromide,1-2-bromo-ethyl-4-fluoro-benzene,benzene, 1-2-bromoethyl-4-fluoro,1-2-bromoethyl-4-fluoro-benzene PubChem CID: 573153 IUPAC Name: 1-(2-bromoethyl)-4-fluorobenzene SMILES: FC1=CC=C(CCBr)C=C1
| PubChem CID | 573153 |
|---|---|
| CAS | 332-42-3 |
| Molecular Weight (g/mol) | 203.05 |
| MDL Number | MFCD03844794 |
| SMILES | FC1=CC=C(CCBr)C=C1 |
| Synonym | 1-2-bromoethyl-4-fluorobenzene,1-fluoro-4-2-bromoethyl benzene,4-fluorophenethyl bromide,2-4-fluorophenyl ethyl bromide,1-bromo-2-4-fluorophenyl ethane,2-4-fluorophenyl ethylbromide,4-fluorophenylethyl bromide,1-2-bromo-ethyl-4-fluoro-benzene,benzene, 1-2-bromoethyl-4-fluoro,1-2-bromoethyl-4-fluoro-benzene |
| IUPAC Name | 1-(2-bromoethyl)-4-fluorobenzene |
| InChI Key | FLRUNCJXOVYWDH-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrF |